==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-06 2IK2 . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR E.OKSANEN,A.K.AHONEN,H.TUOMINEN,V.TUOMINEN,R.LAHTI, . 557 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23409.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 22.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 54 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 1 1 0 0 0 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 10 6 2 2 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A T 0 0 125 0, 0.0 21,-2.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 130.5 29.1 -2.7 -8.7 2 2 A Y E +A 21 0A 62 19,-0.2 19,-0.2 127,-0.1 2,-0.2 -0.817 360.0 155.2 -97.8 129.3 27.2 -1.7 -5.5 3 3 A T E -A 20 0A 58 17,-2.0 17,-2.3 -2,-0.5 2,-0.3 -0.680 34.2-110.1-127.5-171.3 27.9 1.6 -3.8 4 4 A T E -A 19 0A 52 15,-0.2 2,-0.5 -2,-0.2 15,-0.2 -0.927 10.5-154.3-125.1 154.6 26.0 3.9 -1.4 5 5 A R E -A 18 0A 37 13,-2.7 13,-2.6 -2,-0.3 2,-0.5 -0.976 16.5-155.2-125.4 116.0 24.4 7.3 -1.8 6 6 A Q E -A 17 0A 54 -2,-0.5 254,-2.1 11,-0.2 2,-0.4 -0.823 5.3-164.8 -97.9 125.2 24.1 9.3 1.5 7 7 A I E -A 16 0A 21 9,-2.8 9,-2.1 -2,-0.5 252,-0.1 -0.918 59.2 -12.6-100.0 133.4 21.4 12.0 1.9 8 8 A G S S- 0 0 6 -2,-0.4 254,-0.5 7,-0.2 2,-0.4 -0.107 99.0 -43.7 74.4-173.8 21.9 14.4 4.9 9 9 A A > - 0 0 12 252,-0.1 3,-0.7 1,-0.1 6,-0.3 -0.774 61.3-106.0 -93.9 137.7 24.1 14.1 7.9 10 10 A K T 3 S+ 0 0 62 252,-0.4 255,-2.9 -2,-0.4 3,-0.1 -0.307 104.8 31.3 -55.3 146.7 24.6 10.9 9.8 11 11 A N T 3 S+ 0 0 18 1,-0.3 2,-0.3 253,-0.2 -1,-0.2 0.776 100.7 105.4 67.3 34.6 22.7 10.9 13.2 12 12 A T S X S- 0 0 22 -3,-0.7 3,-1.2 1,-0.0 58,-0.3 -0.930 82.6-111.8-133.2 164.0 19.9 13.2 12.0 13 13 A L T 3 S+ 0 0 104 -2,-0.3 57,-0.1 1,-0.2 -3,-0.0 0.732 116.0 55.2 -62.4 -25.7 16.3 12.8 11.1 14 14 A E T 3 S+ 0 0 125 -5,-0.1 -1,-0.2 55,-0.1 2,-0.1 0.530 79.0 121.2 -86.3 -11.5 17.1 13.6 7.4 15 15 A Y < + 0 0 3 -3,-1.2 55,-0.5 -6,-0.3 2,-0.3 -0.361 32.0 163.8 -59.4 130.7 19.8 10.9 7.1 16 16 A K E -AB 7 69A 49 -9,-2.1 -9,-2.8 53,-0.1 2,-0.5 -0.992 21.9-159.2-144.6 141.6 19.1 8.3 4.3 17 17 A V E -AB 6 68A 3 51,-2.2 51,-2.8 -2,-0.3 2,-0.4 -0.985 10.9-170.3-123.8 121.3 21.4 5.8 2.6 18 18 A Y E -A 5 0A 15 -13,-2.6 -13,-2.7 -2,-0.5 2,-0.5 -0.830 21.4-126.7-102.8 145.0 20.4 4.4 -0.8 19 19 A I E -AC 4 26A 0 7,-0.6 7,-2.6 -2,-0.4 2,-0.4 -0.810 25.9-157.7 -86.0 134.1 22.2 1.5 -2.4 20 20 A E E -AC 3 25A 26 -17,-2.3 -17,-2.0 -2,-0.5 2,-0.5 -0.898 11.5-155.6-109.3 140.0 23.3 2.2 -6.0 21 21 A K E > S-AC 2 24A 97 3,-2.7 3,-1.9 -2,-0.4 -19,-0.2 -0.984 87.3 -17.5-110.7 119.7 24.1 -0.3 -8.7 22 22 A D T 3 S- 0 0 104 -21,-2.9 -1,-0.2 -2,-0.5 -20,-0.1 0.911 132.8 -48.6 50.3 47.4 26.6 1.2 -11.2 23 23 A G T 3 S+ 0 0 40 -22,-0.4 -1,-0.3 1,-0.2 -21,-0.1 0.333 118.1 105.7 82.7 -5.8 25.8 4.7 -9.9 24 24 A K E < S-C 21 0A 58 -3,-1.9 -3,-2.7 1,-0.0 -1,-0.2 -0.911 72.6-112.3-110.9 133.1 22.0 4.4 -10.0 25 25 A P E +C 20 0A 3 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.335 37.8 175.9 -59.7 134.3 19.7 4.0 -6.9 26 26 A V E -C 19 0A 5 -7,-2.6 -7,-0.6 39,-0.1 2,-0.5 -0.839 41.6 -79.8-127.9 166.5 17.9 0.6 -6.6 27 27 A S >> - 0 0 0 -2,-0.3 4,-2.2 1,-0.1 5,-0.6 -0.585 27.8-155.2 -71.4 118.8 15.6 -0.8 -3.8 28 28 A A T 45S+ 0 0 0 37,-1.8 -1,-0.1 -2,-0.5 38,-0.1 0.748 97.1 42.1 -63.9 -24.2 17.6 -2.1 -0.9 29 29 A F T 45S+ 0 0 0 68,-0.1 69,-3.0 31,-0.1 70,-0.3 0.879 130.1 19.0 -86.8 -44.6 14.6 -4.5 -0.1 30 30 A H T 45S+ 0 0 0 208,-0.2 -2,-0.2 67,-0.2 209,-0.1 0.738 117.8 51.5-109.1 -26.5 13.6 -5.7 -3.6 31 31 A D T <5S+ 0 0 6 -4,-2.2 -3,-0.2 34,-0.1 -1,-0.1 0.537 84.3 83.1 -99.7 -11.3 16.4 -5.2 -6.1 32 32 A I S S-E 42 0B 62 5,-2.1 5,-2.3 1,-0.1 3,-0.4 -0.709 71.4-174.4-151.4 88.1 25.8 -17.7 -5.9 38 38 A K T > 5S+ 0 0 131 -3,-0.2 3,-1.0 1,-0.2 -1,-0.1 0.822 81.2 61.1 -59.2 -34.4 22.7 -19.8 -5.4 39 39 A E T 3 5S+ 0 0 86 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.921 115.0 33.3 -59.6 -45.3 24.5 -23.1 -6.1 40 40 A N T 3 5S- 0 0 107 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.200 113.9-114.5 -97.0 14.4 26.9 -22.6 -3.2 41 41 A N T < 5 + 0 0 50 -3,-1.0 2,-0.6 -4,-0.2 93,-0.6 0.869 57.0 160.4 54.1 42.7 24.3 -20.8 -1.0 42 42 A I E < -EF 37 133B 26 -5,-2.3 -6,-2.5 91,-0.1 -5,-2.1 -0.888 21.9-160.6 -95.2 122.6 26.2 -17.5 -1.0 43 43 A F E -EF 35 132B 1 89,-2.7 89,-2.5 -2,-0.6 2,-0.5 -0.617 19.3-124.4-102.1 152.7 23.9 -14.7 0.0 44 44 A N E - F 0 131B 9 -10,-2.3 2,-0.5 -11,-0.3 87,-0.2 -0.884 28.9-161.3 -89.9 126.1 23.9 -10.9 -0.4 45 45 A M E - F 0 130B 0 85,-3.5 85,-2.3 -2,-0.5 2,-0.7 -0.925 10.6-146.0-106.7 132.0 23.6 -9.2 3.0 46 46 A V E -GF 95 129B 0 49,-2.6 49,-2.0 -2,-0.5 2,-0.4 -0.898 21.1-141.7 -89.7 116.6 22.5 -5.6 3.2 47 47 A V E +G 94 0B 0 81,-3.0 80,-3.2 -2,-0.7 81,-0.3 -0.672 29.5 167.3 -83.5 131.3 24.3 -4.1 6.2 48 48 A E E + 0 0 11 45,-2.4 46,-0.2 -2,-0.4 -1,-0.2 0.805 66.2 29.0 -99.4 -51.7 22.4 -1.6 8.3 49 49 A I E S-G 93 0B 0 44,-2.7 44,-3.0 76,-0.1 -1,-0.3 -0.963 72.6-136.4-126.3 116.7 24.4 -1.2 11.5 50 50 A P > - 0 0 15 0, 0.0 3,-1.5 0, 0.0 39,-0.3 -0.427 41.3 -88.7 -67.5 146.2 28.2 -1.5 11.9 51 51 A R T 3 S+ 0 0 6 1,-0.2 39,-0.2 71,-0.1 41,-0.1 -0.239 111.0 21.5 -50.8 138.1 29.5 -3.4 14.9 52 52 A W T 3 S+ 0 0 14 37,-3.2 -1,-0.2 35,-0.3 2,-0.2 0.575 98.3 113.6 72.7 20.4 30.1 -1.3 18.0 53 53 A T < - 0 0 47 -3,-1.5 36,-2.3 36,-0.2 -1,-0.3 -0.687 51.5-156.6-109.7 171.6 27.7 1.5 16.9 54 54 A N + 0 0 21 -2,-0.2 26,-2.7 34,-0.2 -1,-0.1 0.683 53.6 109.8-117.4 -37.8 24.4 2.6 18.5 55 55 A A B -M 79 0C 8 24,-0.3 2,-1.6 1,-0.1 24,-0.2 -0.313 68.2-131.1 -51.6 125.3 22.2 4.4 16.0 56 56 A K + 0 0 12 22,-2.5 15,-3.0 15,-0.2 2,-0.3 -0.597 36.0 177.9 -87.8 85.1 19.3 2.1 15.1 57 57 A L E +D 70 0A 6 -2,-1.6 2,-0.3 13,-0.2 13,-0.2 -0.666 1.3 173.2 -93.7 138.7 19.4 2.2 11.3 58 58 A E E -D 69 0A 43 11,-2.6 11,-2.4 -2,-0.3 2,-0.2 -0.999 41.7-101.3-146.5 144.0 17.0 0.1 9.3 59 59 A I E -D 68 0A 7 -2,-0.3 2,-0.6 9,-0.3 9,-0.2 -0.466 49.1-128.1 -55.3 129.6 15.9 -0.5 5.7 60 60 A T > - 0 0 11 7,-2.3 3,-0.6 -2,-0.2 -31,-0.1 -0.811 20.6-166.0 -97.1 119.1 12.6 1.5 5.6 61 61 A K T 3 S+ 0 0 34 -2,-0.6 175,-3.4 1,-0.2 -1,-0.2 0.813 85.4 53.7 -68.5 -29.9 9.6 -0.5 4.3 62 62 A E T 3 S+ 0 0 110 173,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.470 94.3 76.4 -92.4 -8.4 7.5 2.6 3.8 63 63 A E S X S- 0 0 56 -3,-0.6 3,-2.1 4,-0.2 2,-0.2 -0.820 91.5 -90.9-109.8 151.6 9.8 4.8 1.6 64 64 A T T 3 S+ 0 0 59 -2,-0.3 -2,-0.1 1,-0.3 175,-0.1 -0.379 111.7 6.5 -67.3 126.6 10.5 4.4 -2.1 65 65 A L T 3 S- 0 0 0 173,-0.3 -37,-1.8 -2,-0.2 -46,-0.3 0.464 111.0-104.5 72.8 8.5 13.5 2.2 -2.9 66 66 A N < - 0 0 0 -3,-2.1 -1,-0.2 -39,-0.2 -2,-0.1 0.839 47.5-163.1 53.0 55.7 13.6 1.4 0.8 67 67 A P - 0 0 0 0, 0.0 -7,-2.3 0, 0.0 2,-0.5 -0.187 26.1-104.5 -62.5 158.5 16.6 3.6 1.9 68 68 A I E +BD 17 59A 0 -51,-2.8 -51,-2.2 -9,-0.2 2,-0.3 -0.769 52.6 165.1 -84.2 127.8 18.3 2.9 5.2 69 69 A I E -BD 16 58A 34 -11,-2.4 -11,-2.6 -2,-0.5 2,-0.4 -0.901 42.2 -87.8-136.6 165.5 17.2 5.5 7.7 70 70 A Q E - D 0 57A 8 -55,-0.5 -13,-0.2 -58,-0.3 9,-0.1 -0.652 43.8-119.6 -79.0 130.9 17.4 5.9 11.5 71 71 A D - 0 0 41 -15,-3.0 7,-2.8 -2,-0.4 2,-0.3 -0.241 32.1-161.5 -61.6 149.8 14.5 4.5 13.4 72 72 A T E -N 77 0D 63 5,-0.3 2,-0.4 -59,-0.0 5,-0.2 -0.941 15.4-152.7-132.9 159.0 12.5 7.0 15.6 73 73 A K E > S-N 76 0D 119 3,-1.9 3,-1.6 -2,-0.3 -2,-0.0 -0.950 84.2 -22.0-136.5 111.1 10.0 6.7 18.5 74 74 A K T 3 S- 0 0 189 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.921 130.7 -47.1 55.1 46.2 7.5 9.5 18.8 75 75 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 -62,-0.0 -1,-0.3 0.337 113.7 113.6 85.2 -7.5 9.8 11.8 16.7 76 76 A K E < S-N 73 0D 161 -3,-1.6 -3,-1.9 1,-0.0 -1,-0.2 -0.849 72.3-108.2-103.6 134.6 13.1 11.1 18.6 77 77 A L E -N 72 0D 47 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.3 -0.278 36.2-128.9 -57.5 136.8 16.1 9.3 17.0 78 78 A R + 0 0 46 -7,-2.8 -22,-2.5 -22,-0.2 2,-0.4 -0.790 29.1 175.0 -96.4 133.1 16.6 5.8 18.3 79 79 A F B -M 55 0C 29 -2,-0.5 2,-0.3 -24,-0.2 -24,-0.3 -0.999 30.8-126.1-130.8 130.9 19.9 4.5 19.7 80 80 A V - 0 0 0 -26,-2.7 2,-0.1 -2,-0.4 108,-0.1 -0.582 34.8-124.7 -71.6 136.9 20.5 1.2 21.3 81 81 A R - 0 0 46 106,-0.5 2,-0.5 -2,-0.3 193,-0.1 -0.441 24.0 -98.6 -82.9 159.7 22.1 1.7 24.7 82 82 A N E -o 274 0E 0 191,-0.9 193,-2.8 189,-0.4 2,-0.6 -0.701 36.5-163.3 -82.8 120.2 25.4 0.1 25.8 83 83 A C E > -o 275 0E 1 -2,-0.5 3,-2.6 5,-0.3 193,-0.2 -0.939 38.7 -81.5-110.8 102.7 24.6 -2.9 28.0 84 84 A F T 3 S+ 0 0 28 191,-2.5 193,-0.3 -2,-0.6 3,-0.1 -0.135 115.4 18.1 -49.7 133.7 27.7 -4.0 29.9 85 85 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.935 116.9 78.5 -92.6 18.4 29.9 -5.7 28.9 86 86 A H < - 0 0 3 -3,-2.6 2,-0.6 278,-0.1 3,-0.1 -0.446 62.6-145.0 -92.4 151.5 28.8 -4.9 25.4 87 87 A H - 0 0 23 -2,-0.2 -35,-0.3 -5,-0.2 -5,-0.1 -0.943 61.9 -59.4-117.0 105.0 29.4 -1.8 23.3 88 88 A G S S- 0 0 1 -2,-0.6 -5,-0.3 -36,-0.1 2,-0.3 -0.236 115.0 -1.9 59.5-143.7 26.5 -1.0 21.0 89 89 A Y - 0 0 3 -36,-2.3 -37,-3.2 -39,-0.3 -36,-0.2 -0.583 61.2-154.0 -74.6 144.3 25.8 -3.8 18.6 90 90 A I S S+ 0 0 4 -2,-0.3 2,-0.3 -39,-0.2 -1,-0.1 0.386 75.0 46.0-105.2 5.0 28.1 -6.8 18.9 91 91 A H S S- 0 0 2 -41,-0.1 2,-0.7 -42,-0.1 28,-0.2 -0.921 95.7 -97.9-129.6 157.8 27.7 -7.9 15.2 92 92 A N E - H 0 118B 0 26,-2.1 26,-3.1 -2,-0.3 2,-0.4 -0.778 58.6-149.9 -67.7 119.3 27.6 -6.3 11.9 93 93 A Y E +GH 49 117B 7 -44,-3.0 -44,-2.7 -2,-0.7 -45,-2.4 -0.827 35.5 108.9-114.0 132.2 23.8 -6.1 11.8 94 94 A G E -GH 47 116B 0 22,-2.3 22,-2.1 -2,-0.4 2,-0.3 -0.766 47.4 -96.5-165.5-151.5 21.6 -6.3 8.8 95 95 A A E -GH 46 115B 1 -49,-2.0 -49,-2.6 20,-0.3 20,-0.2 -0.973 27.1-109.1-149.5 159.4 19.1 -8.2 6.6 96 96 A F > - 0 0 0 18,-1.9 3,-0.6 -2,-0.3 18,-0.3 -0.831 38.1-129.5 -91.9 131.6 18.8 -10.4 3.6 97 97 A P T 3 S+ 0 0 0 0, 0.0 -67,-0.2 0, 0.0 -68,-0.1 -0.316 88.7 34.3 -72.8 163.1 17.1 -8.6 0.7 98 98 A Q T 3 S+ 0 0 21 -69,-3.0 2,-0.4 1,-0.2 123,-0.3 0.822 94.8 114.4 62.3 30.0 14.2 -10.3 -1.1 99 99 A T < + 0 0 0 -3,-0.6 2,-0.3 -70,-0.3 119,-0.2 -0.972 40.3 179.6-127.6 151.2 13.1 -11.9 2.1 100 100 A W - 0 0 4 117,-1.6 2,-1.5 -2,-0.4 120,-0.2 -0.958 27.6-142.3-153.9 125.3 9.9 -11.2 3.9 101 101 A E - 0 0 9 11,-1.9 10,-2.9 -2,-0.3 11,-0.2 -0.713 32.0-143.4 -90.9 84.6 8.6 -12.7 7.1 102 102 A D > - 0 0 24 -2,-1.5 3,-0.6 1,-0.2 8,-0.0 -0.322 6.6-154.3 -53.4 114.9 4.9 -12.8 5.9 103 103 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.333 89.9 59.8 -78.7 9.3 2.8 -12.0 9.0 104 104 A N T 3 S+ 0 0 80 2,-0.1 2,-0.3 127,-0.0 -2,-0.1 0.635 94.5 68.1-106.1 -27.0 -0.2 -14.0 7.6 105 105 A V S < S- 0 0 66 -3,-0.6 2,-0.2 1,-0.0 0, 0.0 -0.739 79.1-152.1 -85.6 147.7 1.6 -17.3 7.4 106 106 A S 0 0 72 -2,-0.3 -2,-0.1 3,-0.0 -4,-0.1 -0.490 360.0 360.0-122.3-175.8 2.5 -18.9 10.7 107 107 A H 0 0 151 -2,-0.2 -2,-0.0 2,-0.0 -1,-0.0 0.214 360.0 360.0 -67.1 360.0 4.8 -21.2 12.7 108 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 109 114 A G 0 0 48 0, 0.0 -7,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 132.9 5.8 -13.2 11.6 110 115 A E - 0 0 30 2,-0.2 -8,-0.1 36,-0.2 37,-0.0 0.672 360.0-129.7-103.7 -17.0 7.3 -9.7 11.4 111 116 A N S S+ 0 0 35 -10,-2.9 -9,-0.1 1,-0.3 124,-0.1 0.551 79.1 100.4 71.8 16.0 6.5 -8.2 8.0 112 117 A D S S- 0 0 40 -11,-0.2 -11,-1.9 1,-0.1 -1,-0.3 -0.781 85.1 -87.0-122.6 160.8 10.2 -7.3 7.7 113 118 A P - 0 0 6 0, 0.0 -13,-0.2 0, 0.0 2,-0.2 -0.276 61.1 -87.7 -60.0 157.3 13.2 -8.9 5.8 114 119 A I - 0 0 0 -18,-0.3 -18,-1.9 100,-0.1 2,-0.2 -0.493 47.3-115.1 -75.4 141.0 14.9 -11.6 7.9 115 120 A D E -Hi 95 149B 13 33,-0.9 35,-2.8 -20,-0.2 2,-0.4 -0.505 26.6-159.5 -83.2 147.9 17.7 -10.4 10.2 116 121 A V E -Hi 94 150B 0 -22,-2.1 -22,-2.3 33,-0.2 2,-0.6 -0.990 9.6-159.7-132.1 127.5 21.4 -11.3 9.8 117 122 A L E -Hi 93 151B 0 33,-3.4 35,-3.2 -2,-0.4 2,-0.6 -0.945 12.7-159.6-102.6 118.5 24.2 -11.2 12.2 118 123 A E E -Hi 92 152B 1 -26,-3.1 -26,-2.1 -2,-0.6 35,-0.2 -0.906 7.0-172.6-106.6 122.4 27.6 -11.1 10.5 119 124 A I + 0 0 16 33,-2.3 34,-0.1 -2,-0.6 -1,-0.1 0.300 36.8 122.9-105.3 7.2 30.4 -12.2 12.8 120 125 A G - 0 0 3 32,-0.2 -28,-0.1 2,-0.1 -2,-0.1 0.016 69.8-105.9 -70.0 171.8 33.6 -11.5 10.8 121 126 A E S S+ 0 0 41 33,-0.1 2,-0.2 435,-0.1 -1,-0.1 0.869 90.8 80.7 -69.9 -41.5 36.5 -9.4 11.9 122 127 A T S S- 0 0 54 1,-0.1 2,-0.4 434,-0.1 -71,-0.1 -0.522 80.7-121.9 -77.6 135.3 36.0 -6.3 9.7 123 128 A I - 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B 0 422H 0 -9,-0.2 -33,-0.9 -2,-0.2 2,-0.5 -0.329 4.5-152.8 -57.1 145.3 49.3 -0.1 40.2 432 154 B K E -aB 398 421H 0 -11,-2.9 -11,-2.1 -35,-0.1 2,-0.4 -0.965 7.4-150.1-121.7 109.1 45.9 0.8 38.6 433 155 B V E -aB 399 420H 0 -35,-2.9 -33,-3.2 -2,-0.5 2,-0.6 -0.659 8.7-141.5 -76.6 134.0 43.9 3.4 40.5 434 156 B I E +aB 400 419H 3 -15,-2.8 -16,-3.3 -2,-0.4 -15,-1.3 -0.873 37.6 159.2 -95.4 120.9 40.1 3.1 40.3 435 157 B A E -aB 401 417H 0 -35,-2.9 -33,-2.5 -2,-0.6 2,-0.4 -0.888 30.0-146.7-139.4 164.7 38.5 6.6 40.0 436 158 B I E - B 0 416H 0 -20,-1.8 -20,-2.4 -2,-0.3 2,-0.1 -0.996 30.7-106.0-141.9 137.4 35.5 8.5 38.9 437 159 B D E > - B 0 415H 18 -2,-0.4 3,-1.8 -22,-0.2 -22,-0.3 -0.341 27.0-134.2 -48.7 126.6 34.9 11.9 37.5 438 160 B I T 3 S+ 0 0 67 -24,-2.6 -1,-0.1 1,-0.3 -23,-0.1 0.689 105.1 59.3 -64.6 -18.1 33.5 14.2 40.2 439 161 B N T 3 S+ 0 0 126 -25,-0.4 -1,-0.3 4,-0.1 -24,-0.1 0.509 77.1 115.9 -85.4 -8.0 30.9 15.4 37.6 440 162 B D S X S- 0 0 12 -3,-1.8 3,-1.7 1,-0.1 -4,-0.0 -0.379 76.4-123.3 -59.2 140.9 29.5 11.9 37.0 441 163 B P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.834 112.8 47.4 -52.0 -33.4 25.9 11.7 38.0 442 164 B L T >> S+ 0 0 45 1,-0.2 3,-2.0 2,-0.1 4,-0.6 0.538 80.6 101.9 -85.9 -8.1 26.8 8.8 40.3 443 165 B A G X4 S+ 0 0 4 -3,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.841 76.0 56.2 -49.6 -47.6 29.8 10.5 42.0 444 166 B P G 34 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.718 110.1 47.4 -56.1 -22.0 28.0 11.4 45.3 445 167 B K G <4 S+ 0 0 120 -3,-2.0 2,-0.7 -4,-0.1 -2,-0.2 0.461 97.7 78.8 -97.8 -4.7 27.1 7.7 45.8 446 168 B L << + 0 0 0 -3,-1.6 -1,-0.1 -4,-0.6 3,-0.1 -0.882 45.0 135.4-110.2 106.6 30.6 6.4 45.0 447 169 B N + 0 0 82 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.701 66.3 16.9-123.5 -28.4 32.9 6.8 48.0 448 170 B D S >> S- 0 0 46 41,-0.1 3,-1.6 42,-0.1 4,-0.6 -0.878 86.0 -91.4-142.6 173.2 34.8 3.5 48.4 449 171 B I H >> S+ 0 0 11 -31,-0.9 4,-1.0 1,-0.3 3,-0.9 0.783 117.7 62.3 -61.7 -33.8 35.6 0.4 46.3 450 172 B E H 3> S+ 0 0 116 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.807 96.2 62.5 -58.8 -30.5 32.6 -1.6 47.5 451 173 B D H <> S+ 0 0 39 -3,-1.6 4,-2.4 1,-0.2 5,-0.3 0.777 94.7 61.4 -68.2 -26.2 30.4 1.0 45.9 452 174 B V H < S- 0 0 13 -4,-2.6 3,-2.5 -5,-0.3 4,-0.5 -0.456 81.4-169.1-131.5 55.0 29.0 -1.1 38.3 457 179 B P T 3 S+ 0 0 59 0, 0.0 -4,-0.1 0, 0.0 -180,-0.1 -0.288 74.0 13.4 -59.1 131.8 28.5 -4.9 38.9 458 180 B G T 3> S+ 0 0 24 -182,-0.1 4,-2.2 -373,-0.0 5,-0.2 0.128 95.7 106.5 91.8 -17.9 31.0 -7.0 37.0 459 181 B L H <> S+ 0 0 6 -3,-2.5 4,-2.2 -7,-0.2 5,-0.1 0.911 80.0 47.7 -68.3 -38.4 33.3 -4.0 36.1 460 182 B L H > S+ 0 0 19 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.917 112.2 48.6 -71.3 -40.2 36.0 -4.9 38.5 461 183 B R H > S+ 0 0 204 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.882 113.0 48.8 -62.8 -37.0 36.0 -8.6 37.4 462 184 B A H X S+ 0 0 11 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.843 108.4 54.7 -69.1 -34.9 36.2 -7.4 33.8 463 185 B T H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.937 106.7 50.0 -63.7 -48.7 39.0 -5.1 34.7 464 186 B N H X S+ 0 0 29 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.939 114.2 46.0 -50.7 -50.2 41.0 -8.0 36.2 465 187 B E H X S+ 0 0 65 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.930 110.4 53.2 -63.0 -44.9 40.4 -10.0 33.0 466 188 B W H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.942 111.4 43.7 -56.6 -53.0 41.3 -7.1 30.6 467 189 B F H < S+ 0 0 1 -4,-2.4 12,-0.2 1,-0.2 -1,-0.2 0.779 113.4 53.5 -71.5 -23.9 44.6 -6.3 32.2 468 190 B R H < S+ 0 0 66 -4,-1.6 11,-2.5 -5,-0.3 -1,-0.2 0.931 123.2 24.4 -67.1 -44.1 45.4 -10.0 32.3 469 191 B I H >< S+ 0 0 31 -4,-2.4 3,-2.2 9,-0.2 -2,-0.2 0.576 89.0 98.6-102.3 -12.3 44.7 -10.7 28.6 470 192 B Y T 3< S+ 0 0 7 -4,-2.5 -111,-0.5 1,-0.3 -1,-0.2 0.688 89.2 43.6 -63.3 -21.3 45.2 -7.4 26.7 471 193 B K T > >S+ 0 0 13 -3,-0.2 5,-1.9 -4,-0.2 3,-1.3 0.429 86.8 92.5 -97.8 -1.6 48.7 -8.1 25.5 472 194 B I G X 5S+ 0 0 78 -3,-2.2 3,-1.9 1,-0.3 -2,-0.2 0.904 83.1 55.1 -59.3 -41.3 48.1 -11.8 24.5 473 195 B P G 3 5S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.634 103.3 58.3 -64.3 -15.6 47.2 -10.7 20.9 474 196 B D G < 5S- 0 0 58 -3,-1.3 -2,-0.2 2,-0.1 -3,-0.1 0.264 123.9-103.9 -88.6 4.1 50.7 -9.0 20.8 475 197 B G T < 5S+ 0 0 71 -3,-1.9 -3,-0.2 1,-0.3 -4,-0.0 0.560 82.0 126.6 81.3 10.9 52.4 -12.3 21.6 476 198 B K < - 0 0 83 -5,-1.9 -1,-0.3 1,-0.1 -2,-0.1 -0.566 63.6 -98.7 -91.4 162.9 53.1 -11.5 25.2 477 199 B P - 0 0 96 0, 0.0 -6,-0.2 0, 0.0 -51,-0.1 -0.296 45.9 -83.7 -71.8 162.9 52.1 -13.8 28.1 478 200 B E - 0 0 98 -7,-0.1 -9,-0.2 -8,-0.1 -10,-0.1 -0.438 49.8-129.9 -55.1 134.5 49.0 -13.4 30.3 479 201 B N - 0 0 9 -11,-2.5 2,-0.3 -12,-0.2 -54,-0.1 -0.351 18.6-145.3 -79.4 172.8 49.7 -10.8 33.1 480 202 B Q E -D 424 0H 146 -56,-1.1 -56,-2.9 -2,-0.1 2,-0.3 -0.929 1.6-138.9-135.3 160.3 49.0 -11.5 36.8 481 203 B F E > -D 423 0H 23 -2,-0.3 3,-0.5 -58,-0.2 -58,-0.2 -0.895 16.9-123.7-113.8 150.9 47.8 -9.4 39.8 482 204 B A G > S+ 0 0 21 -60,-2.7 3,-2.2 -2,-0.3 -60,-0.3 -0.350 97.0 38.2 -76.6 171.3 49.0 -9.4 43.4 483 205 B F G > S- 0 0 67 1,-0.3 3,-1.7 -96,-0.2 -1,-0.2 0.722 132.9 -76.5 55.0 26.1 46.3 -9.9 46.1 484 206 B S G < S- 0 0 129 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.800 91.8 -54.8 53.2 33.8 44.8 -12.5 43.7 485 207 B G G < S+ 0 0 10 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.548 92.1 162.3 79.0 11.1 43.4 -9.4 41.8 486 208 B E < - 0 0 101 -3,-1.7 2,-0.8 -4,-0.3 -64,-0.5 -0.327 39.4-131.0 -59.0 140.6 41.7 -7.9 44.9 487 209 B A - 0 0 17 -66,-0.1 -66,-0.2 -68,-0.0 -1,-0.1 -0.879 25.7-144.0 -91.3 110.5 40.8 -4.2 44.5 488 210 B K E -C 420 0H 44 -68,-2.3 -68,-2.1 -2,-0.8 -70,-0.0 -0.313 25.0 -97.0 -69.4 162.3 42.1 -2.6 47.7 489 211 B N E > -C 419 0H 63 -70,-0.2 4,-2.6 -41,-0.1 -70,-0.2 0.035 33.7 -91.6 -82.9 178.9 40.1 0.2 49.2 490 212 B K H > S+ 0 0 49 -72,-0.6 4,-2.8 1,-0.2 5,-0.2 0.874 123.1 54.6 -57.0 -41.4 40.3 4.0 49.0 491 213 B K H > S+ 0 0 170 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.926 111.2 44.8 -60.1 -45.3 42.5 4.2 52.1 492 214 B Y H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 113.0 52.5 -63.3 -45.8 45.0 1.8 50.6 493 215 B A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.899 106.1 52.1 -57.0 -45.2 44.8 3.7 47.3 494 216 B L H X S+ 0 0 39 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.880 108.1 53.5 -63.3 -35.7 45.6 7.1 48.9 495 217 B D H X S+ 0 0 104 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.905 111.2 43.7 -62.2 -47.9 48.6 5.6 50.6 496 218 B I H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.920 112.2 52.9 -66.6 -41.7 50.1 4.3 47.3 497 219 B I H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.919 108.6 51.4 -61.5 -42.4 49.2 7.6 45.5 498 220 B K H X S+ 0 0 110 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.915 107.7 52.9 -56.5 -46.9 51.1 9.5 48.2 499 221 B E H X S+ 0 0 65 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.916 109.9 46.9 -55.9 -47.8 54.1 7.2 47.8 500 222 B T H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -122,-1.1 0.811 110.4 53.3 -69.4 -28.2 54.3 7.9 44.0 501 223 B H H X S+ 0 0 23 -4,-2.0 4,-2.2 -124,-0.2 -2,-0.2 0.927 108.9 49.7 -68.6 -41.6 53.9 11.6 44.6 502 224 B D H X S+ 0 0 61 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.890 109.2 52.0 -63.3 -39.1 56.9 11.5 47.0 503 225 B S H X S+ 0 0 16 -4,-2.1 4,-2.4 -125,-0.2 -1,-0.2 0.925 109.4 49.6 -61.3 -44.6 58.9 9.6 44.4 504 226 B W H X S+ 0 0 12 -4,-1.9 4,-3.2 -128,-0.2 5,-0.3 0.875 105.3 57.0 -61.0 -40.8 58.1 12.3 41.8 505 227 B K H X S+ 0 0 103 -4,-2.2 4,-1.3 2,-0.2 6,-0.2 0.926 110.2 45.1 -57.4 -43.5 59.1 15.1 44.3 506 228 B Q H <>S+ 0 0 94 -4,-1.8 5,-2.5 1,-0.2 6,-0.5 0.942 114.2 49.9 -62.2 -48.2 62.6 13.4 44.6 507 229 B L H ><5S+ 0 0 1 -4,-2.4 3,-1.5 4,-0.2 5,-0.3 0.918 111.4 46.1 -57.3 -48.4 62.7 12.9 40.8 508 230 B I H 3<5S+ 0 0 9 -4,-3.2 22,-0.4 1,-0.3 -1,-0.2 0.708 106.4 59.9 -77.3 -18.7 61.8 16.5 39.9 509 231 B A T 3<5S- 0 0 35 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.391 118.3-111.4 -79.4 -2.2 64.3 17.9 42.5 510 232 B G T < 5S+ 0 0 55 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.612 89.4 114.7 77.2 17.8 67.1 16.2 40.6 511 233 B K < + 0 0 156 -5,-2.5 -4,-0.2 -6,-0.2 -5,-0.1 0.333 34.3 117.0-107.7 3.9 67.6 13.7 43.5 512 234 B S - 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0 0 42 -10,-2.8 3,-1.3 -2,-0.2 4,-0.4 -0.586 28.6-169.9-164.6 96.6 62.0 27.3 32.5 533 255 B K G > S+ 0 0 146 1,-0.2 3,-1.3 2,-0.1 4,-0.4 0.863 90.6 65.9 -52.7 -38.6 58.9 29.4 31.8 534 256 B A G >> S+ 0 0 64 1,-0.2 4,-0.9 2,-0.2 3,-0.8 0.681 78.6 78.2 -50.5 -36.7 60.4 29.9 28.2 535 257 B A G <4 S+ 0 0 15 -3,-1.3 3,-0.4 1,-0.2 4,-0.2 0.808 87.5 62.2 -46.0 -32.8 60.1 26.2 27.3 536 258 B S G X4 S+ 0 0 6 -3,-1.3 3,-1.4 -4,-0.4 -1,-0.2 0.908 97.8 54.3 -65.7 -42.2 56.4 26.9 26.6 537 259 B D T <4 S+ 0 0 115 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.755 97.4 65.5 -61.6 -28.1 57.1 29.4 23.9 538 260 B A T 3< S+ 0 0 84 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.496 78.4 101.7 -78.0 -6.9 59.3 26.9 21.9 539 261 B I S < S- 0 0 19 -3,-1.4 -196,-0.0 -4,-0.2 -3,-0.0 -0.663 78.4-116.2 -79.8 133.9 56.3 24.6 21.2 540 262 B P - 0 0 70 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.187 36.3 -93.5 -61.7 160.9 54.9 24.9 17.7 541 263 B P - 0 0 100 0, 0.0 -258,-0.0 0, 0.0 0, 0.0 -0.240 54.7 -75.7 -67.1 159.4 51.4 26.2 17.2 542 264 B A - 0 0 62 1,-0.1 -257,-0.2 -257,-0.1 -247,-0.0 -0.271 43.4-179.2 -49.3 137.8 48.4 23.8 16.9 543 265 B S E -r 285 0G 52 -259,-2.5 -257,-1.3 -257,-0.1 2,-0.2 -0.397 14.4-176.8-138.1 56.8 48.2 22.1 13.5 544 266 B L E +r 286 0G 122 -259,-0.2 2,-0.3 -260,-0.1 -257,-0.2 -0.370 2.5 179.5 -68.9 127.0 45.1 20.0 14.0 545 267 B K E -r 287 0G 131 -259,-1.8 -257,-0.6 -2,-0.2 3,-0.1 -0.867 38.2 -84.8-118.2 160.0 44.2 17.8 11.1 546 268 B A - 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